4-(azocane-1-carbonyl)-1-ethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 746780
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: c1(C(=O)N2CCCCCCC2)cc(=O)n(cc1)CC
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)N1CCCCCCC1
• InChI: InChI=1S/C15H22N2O2/c1-2-16-11-8-13(12-14(16)18)15(19)17-9-6-4-3-5-7-10-17/h8,11-12H,2-7,9-10H2,1H3
• InChIKey: HPTYGUNWNBQTGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(azocane-1-carbonyl)-1-ethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
• Synonyms: 4-(azocan-1-ylcarbonyl)-1-ethylpyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4123113
• LogD (pH = 7.4): 1.4123127
• Log P: 1.4123127
• Molar Refractivity: 76.6494 cm^3
• Polarizability: 28.834255 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.54
• LOG S: -2.43
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 2